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English
Helicusin E
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
508.150010188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₉ClO₉
0 references
canonical SMILES
O=C(OC1(C(=O)C(Cl)=C2C=C(OC=C2C1=O)C=CC(O)(C)C(O)C(C)CC)C)C=C(C)CC(=O)O
0 references
isomeric SMILES
CCC(C)C(O)C(C)(O)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)C2=CO1
0 references
found in taxon
Bartalinia robillardoides
1 reference
stated in
Helicusin E, isochromophilone X and isochromophilone XI: new chloroazaphilones produced by the fungus Bartalinia robillardoides strain LF550.
Identifiers
InChI
InChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7?,13-10+/t14?,21?,24?,25-/m0/s1
0 references
InChIKey
KRQJBTNVZHCANM-NVYBTJKXSA-N
2 references
stated in
PubChem
PubChem CID
139586303
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586303
language of work or name
English
PubChem CID
139586303
2 references
stated in
PubChem
PubChem CID
139586303
language of work or name
English
matched by identifier from
InChIKey
InChIKey
KRQJBTNVZHCANM-NVYBTJKXSA-N
ChEBI ID
219705
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7?,13-10+/t14?,21?,24?,25-/m0/s1
UniChem compound ID
170909576
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011532
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KRQJBTNVZHCANM-NVYBTJKXSA-N
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